Glycocitridine
PubChem CID: 928053
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Glycocitridine, 167504-57-6, 4,7,8-trimethoxy-2-oxo-1,2-dihydroquinoline-3-carbaldehyde, 4,7,8-trimethoxy-2-oxo-1H-quinoline-3-carbaldehyde, Oprea1_549112, DTXSID501346620, STL578201, AKOS030488870, 3-formyl-4,7,8-trimethoxyquinolin-2-one |
|---|---|
| Topological Polar Surface Area | 73.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 406.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,7,8-trimethoxy-2-oxo-1H-quinoline-3-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 0.6 |
| Molecular Formula | C13H13NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VWYALKKHDZGUAU-UHFFFAOYSA-N |
| Fcsp3 | 0.2307692307692307 |
| Logs | -3.345 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.234 |
| Compound Name | Glycocitridine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 263.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 263.079 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 263.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.920617484210526 |
| Inchi | InChI=1S/C13H13NO5/c1-17-9-5-4-7-10(12(9)19-3)14-13(16)8(6-15)11(7)18-2/h4-6H,1-3H3,(H,14,16) |
| Smiles | COC1=C(C2=C(C=C1)C(=C(C(=O)N2)C=O)OC)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Melicope Semecarpifolia (Plant) Rel Props:Source_db:cmaup_ingredients